N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine

C18H29N3 — CID 115970703

IUPACN-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine
SMILESCCCNC(CCC)Cn1c(CCC)nc2ccccc21
InChIInChI=1S/C18H29N3/c1-4-9-15(19-13-6-3)14-21-17-12-8-7-11-16(17)20-18(21)10-5-2/h7-8,11-12,15,19H,4-6,9-10,13-14H2,1-3H3
InChIKeyLAWWMMMLJYXLLQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.16
Rot. Bonds9

About N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine

N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine (PubChem CID 115970703) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine
PubChem CID115970703
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine
SMILESCCCNC(CCC)Cn1c(CCC)nc2ccccc21
InChIInChI=1S/C18H29N3/c1-4-9-15(19-13-6-3)14-21-17-12-8-7-11-16(17)20-18(21)10-5-2/h7-8,11-12,15,19H,4-6,9-10,13-14H2,1-3H3
InChIKeyLAWWMMMLJYXLLQ-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol
CID 115971237
4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol
CID 64897574
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
3-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]butane-1-thiol
CID 112632540
N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632150
methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate
CID 115970954
3,3-dimethyl-1-(2-propylbenzimidazol-1-yl)butan-2-amine
CID 112632168
2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine
CID 55244166
1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 79756659
1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol
CID 112568352
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
1-cyclopropyl-N-[2-(2-propylbenzimidazol-1-yl)ethyl]ethanamine
CID 115971092

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine?
The IUPAC name of N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine (CID 115970703) is N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine.
What is the SMILES notation for N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine?
The canonical SMILES for N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine is CCCNC(CCC)Cn1c(CCC)nc2ccccc21.
What is the InChIKey of N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine?
The InChIKey is LAWWMMMLJYXLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-4-9-15(19-13-6-3)14-21-17-12-8-7-11-16(17)20-18(21)10-5-2/h7-8,11-12,15,19H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine?
N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine is sourced from PubChem (CID 115970703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).