N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine

C16H25N3 — CID 112632150

IUPACN-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
SMILESCCCc1nc2ccccc2n1CCCNC(C)C
InChIInChI=1S/C16H25N3/c1-4-8-16-18-14-9-5-6-10-15(14)19(16)12-7-11-17-13(2)3/h5-6,9-10,13,17H,4,7-8,11-12H2,1-3H3
InChIKeyBTCOWJXEXWRPHI-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.38
Rot. Bonds7

About N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine

N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine (PubChem CID 112632150) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
PubChem CID112632150
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
SMILESCCCc1nc2ccccc2n1CCCNC(C)C
InChIInChI=1S/C16H25N3/c1-4-8-16-18-14-9-5-6-10-15(14)19(16)12-7-11-17-13(2)3/h5-6,9-10,13,17H,4,7-8,11-12H2,1-3H3
InChIKeyBTCOWJXEXWRPHI-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.38
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-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750199
2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
CID 115970737
N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 115970736
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
1-cyclopropyl-N-[2-(2-propylbenzimidazol-1-yl)ethyl]ethanamine
CID 115971092
1-pent-4-ynyl-2-propylbenzimidazole
CID 113374435
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
N-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentanamine
CID 115971115
2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile
CID 63640682
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine (CID 112632150) is N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine is CCCc1nc2ccccc2n1CCCNC(C)C.
What is the InChIKey of N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is BTCOWJXEXWRPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-8-16-18-14-9-5-6-10-15(14)19(16)12-7-11-17-13(2)3/h5-6,9-10,13,17H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine?
N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 112632150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).