N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine

C18H29N3 — CID 105007167

IUPACN,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
SMILESCCCn1c(CC(NC)C(C)(C)CC)nc2ccccc21
InChIInChI=1S/C18H29N3/c1-6-12-21-15-11-9-8-10-14(15)20-17(21)13-16(19-5)18(3,4)7-2/h8-11,16,19H,6-7,12-13H2,1-5H3
InChIKeyQDCHWLDWFBPWIM-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.01
Rot. Bonds7

About N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine

N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 105007167) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
PubChem CID105007167
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
SMILESCCCn1c(CC(NC)C(C)(C)CC)nc2ccccc21
InChIInChI=1S/C18H29N3/c1-6-12-21-15-11-9-8-10-14(15)20-17(21)13-16(19-5)18(3,4)7-2/h8-11,16,19H,6-7,12-13H2,1-5H3
InChIKeyQDCHWLDWFBPWIM-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N,3-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 79751005
1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79757629
3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 116752064
2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole
CID 79751264
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79756292
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972
1-tert-butylsulfanyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79756075
N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine
CID 79756302
1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine
CID 63104680

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine (CID 105007167) is N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine is CCCn1c(CC(NC)C(C)(C)CC)nc2ccccc21.
What is the InChIKey of N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is QDCHWLDWFBPWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-6-12-21-15-11-9-8-10-14(15)20-17(21)13-16(19-5)18(3,4)7-2/h8-11,16,19H,6-7,12-13H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine?
N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 105007167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).