N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine

C17H27N3 — CID 79750199

IUPACN-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
SMILESCCCn1c(CCCCNC(C)C)nc2ccccc21
InChIInChI=1S/C17H27N3/c1-4-13-20-16-10-6-5-9-15(16)19-17(20)11-7-8-12-18-14(2)3/h5-6,9-10,14,18H,4,7-8,11-13H2,1-3H3
InChIKeyVYJWBNWPVFFKHQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.77
Rot. Bonds8

About N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine

N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine (PubChem CID 79750199) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
PubChem CID79750199
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
SMILESCCCn1c(CCCCNC(C)C)nc2ccccc21
InChIInChI=1S/C17H27N3/c1-4-13-20-16-10-6-5-9-15(16)19-17(20)11-7-8-12-18-14(2)3/h5-6,9-10,14,18H,4,7-8,11-13H2,1-3H3
InChIKeyVYJWBNWPVFFKHQ-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632150
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79751254
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
CID 115970737
2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol
CID 79757616

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine (CID 79750199) is N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine is CCCn1c(CCCCNC(C)C)nc2ccccc21.
What is the InChIKey of N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is VYJWBNWPVFFKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-13-20-16-10-6-5-9-15(16)19-17(20)11-7-8-12-18-14(2)3/h5-6,9-10,14,18H,4,7-8,11-13H2,1-3H3.
What are the key properties of N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine?
N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 79750199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).