(3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole

C20H26N4 — CID 134836167

IUPAC(3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
SMILESc1cc(C2=N[C@@H]3CCCC[C@H]3N2)cc(C2=N[C@@H]3CCCC[C@H]3N2)c1
InChIInChI=1S/C20H26N4/c1-2-9-16-15(8-1)21-19(22-16)13-6-5-7-14(12-13)20-23-17-10-3-4-11-18(17)24-20/h5-7,12,15-18H,1-4,8-11H2,(H,21,22)(H,23,24)/t15-,16-,17-,18-/m1/s1
InChIKeyBNVOPNVLDOMELA-BRSBDYLESA-N
MW322.46 g/mol
LogP3.01
Rot. Bonds2

About (3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole

(3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole (PubChem CID 134836167) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is (3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole.

Molecular Properties

Compound Name(3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
PubChem CID134836167
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name(3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
SMILESc1cc(C2=N[C@@H]3CCCC[C@H]3N2)cc(C2=N[C@@H]3CCCC[C@H]3N2)c1
InChIInChI=1S/C20H26N4/c1-2-9-16-15(8-1)21-19(22-16)13-6-5-7-14(12-13)20-23-17-10-3-4-11-18(17)24-20/h5-7,12,15-18H,1-4,8-11H2,(H,21,22)(H,23,24)/t15-,16-,17-,18-/m1/s1
InChIKeyBNVOPNVLDOMELA-BRSBDYLESA-N
XLogP3.01
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole with MolForge

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Related Compounds

6-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-2-[[6-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole
CID 135480771
2-[4-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]ethanamine
CID 67329325
4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-2-nitroaniline;hydrochloride
CID 21316963
2-(3-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065632
2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine
CID 115065500
2-(3-bromophenyl)-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-amine
CID 115065670
6-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-2-(3H-benzimidazol-5-yl)-1H-benzimidazole
CID 139726173
2-[2-(2-naphthalen-1-ylethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 69204606
6-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-2-(4-nitrophenyl)-1H-benzimidazole
CID 44531029
1-[5-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone
CID 175759178
2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine
CID 15925361
2-[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-3-hydroxy-5-(3-methylphenyl)cyclohex-2-en-1-one
CID 136800587

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
The IUPAC name of (3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole (CID 134836167) is (3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole.
What is the SMILES notation for (3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
The canonical SMILES for (3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole is c1cc(C2=N[C@@H]3CCCC[C@H]3N2)cc(C2=N[C@@H]3CCCC[C@H]3N2)c1.
What is the InChIKey of (3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
The InChIKey is BNVOPNVLDOMELA-BRSBDYLESA-N. The full InChI is InChI=1S/C20H26N4/c1-2-9-16-15(8-1)21-19(22-16)13-6-5-7-14(12-13)20-23-17-10-3-4-11-18(17)24-20/h5-7,12,15-18H,1-4,8-11H2,(H,21,22)(H,23,24)/t15-,16-,17-,18-/m1/s1.
What are the key properties of (3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
(3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole has a molecular weight of 322.46 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-2-[3-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole is sourced from PubChem (CID 134836167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).