10-(1-butylbenzimidazol-2-yl)decan-1-amine

C21H35N3 — CID 92629122

IUPAC10-(1-butylbenzimidazol-2-yl)decan-1-amine
SMILESCCCCn1c(CCCCCCCCCCN)nc2ccccc21
InChIInChI=1S/C21H35N3/c1-2-3-18-24-20-15-12-11-14-19(20)23-21(24)16-10-8-6-4-5-7-9-13-17-22/h11-12,14-15H,2-10,13,16-18,22H2,1H3
InChIKeyPGPTVVYLQNQXHS-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.46
Rot. Bonds13

About 10-(1-butylbenzimidazol-2-yl)decan-1-amine

10-(1-butylbenzimidazol-2-yl)decan-1-amine (PubChem CID 92629122) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 10-(1-butylbenzimidazol-2-yl)decan-1-amine.

Molecular Properties

Compound Name10-(1-butylbenzimidazol-2-yl)decan-1-amine
PubChem CID92629122
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name10-(1-butylbenzimidazol-2-yl)decan-1-amine
SMILESCCCCn1c(CCCCCCCCCCN)nc2ccccc21
InChIInChI=1S/C21H35N3/c1-2-3-18-24-20-15-12-11-14-19(20)23-21(24)16-10-8-6-4-5-7-9-13-17-22/h11-12,14-15H,2-10,13,16-18,22H2,1H3
InChIKeyPGPTVVYLQNQXHS-UHFFFAOYSA-N
XLogP5.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.46
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

2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
3-(2-nonylbenzimidazol-1-yl)propanenitrile
CID 3414189
1-ethyl-2-pentylbenzimidazole
CID 3463966
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
2-(1-butylbenzimidazol-2-yl)ethanethioamide
CID 55244550
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507

Frequently Asked Questions

What is the IUPAC name of 10-(1-butylbenzimidazol-2-yl)decan-1-amine?
The IUPAC name of 10-(1-butylbenzimidazol-2-yl)decan-1-amine (CID 92629122) is 10-(1-butylbenzimidazol-2-yl)decan-1-amine.
What is the SMILES notation for 10-(1-butylbenzimidazol-2-yl)decan-1-amine?
The canonical SMILES for 10-(1-butylbenzimidazol-2-yl)decan-1-amine is CCCCn1c(CCCCCCCCCCN)nc2ccccc21.
What is the InChIKey of 10-(1-butylbenzimidazol-2-yl)decan-1-amine?
The InChIKey is PGPTVVYLQNQXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3/c1-2-3-18-24-20-15-12-11-14-19(20)23-21(24)16-10-8-6-4-5-7-9-13-17-22/h11-12,14-15H,2-10,13,16-18,22H2,1H3.
What are the key properties of 10-(1-butylbenzimidazol-2-yl)decan-1-amine?
10-(1-butylbenzimidazol-2-yl)decan-1-amine has a molecular weight of 329.53 g/mol, XLogP of 5.46, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-butylbenzimidazol-2-yl)decan-1-amine is sourced from PubChem (CID 92629122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).