N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine

C22H20N6 — CID 101271136

IUPACN-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
SMILESc1cc(CNc2nc3ccccc3[nH]2)cc(CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H20N6/c1-2-9-18-17(8-1)25-21(26-18)23-13-15-6-5-7-16(12-15)14-24-22-27-19-10-3-4-11-20(19)28-22/h1-12H,13-14H2,(H2,23,25,26)(H2,24,27,28)
InChIKeyFMDQETSWWZWCKV-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.66
Rot. Bonds6

About N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine

N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 101271136) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
PubChem CID101271136
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC NameN-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
SMILESc1cc(CNc2nc3ccccc3[nH]2)cc(CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H20N6/c1-2-9-18-17(8-1)25-21(26-18)23-13-15-6-5-7-16(12-15)14-24-22-27-19-10-3-4-11-20(19)28-22/h1-12H,13-14H2,(H2,23,25,26)(H2,24,27,28)
InChIKeyFMDQETSWWZWCKV-UHFFFAOYSA-N
XLogP4.66
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 83326035
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410298
N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 62313746
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine
CID 133409971
N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 141189433
N-[(2,4-dimethylphenyl)methyl]-1H-benzimidazol-2-amine
CID 115143837
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine (CID 101271136) is N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine is c1cc(CNc2nc3ccccc3[nH]2)cc(CNc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is FMDQETSWWZWCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-2-9-18-17(8-1)25-21(26-18)23-13-15-6-5-7-16(12-15)14-24-22-27-19-10-3-4-11-20(19)28-22/h1-12H,13-14H2,(H2,23,25,26)(H2,24,27,28).
What are the key properties of N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine?
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 368.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 101271136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).