10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine

C21H35N3O2 — CID 92636108

IUPAC10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine
SMILESCCn1c(CCCCCCCCCCN)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C21H35N3O2/c1-4-24-18-16-20(26-3)19(25-2)15-17(18)23-21(24)13-11-9-7-5-6-8-10-12-14-22/h15-16H,4-14,22H2,1-3H3
InChIKeyOBHQXGIZGCIEGU-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.70
Rot. Bonds13

About 10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine

10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine (PubChem CID 92636108) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine.

Molecular Properties

Compound Name10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine
PubChem CID92636108
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine
SMILESCCn1c(CCCCCCCCCCN)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C21H35N3O2/c1-4-24-18-16-20(26-3)19(25-2)15-17(18)23-21(24)13-11-9-7-5-6-8-10-12-14-22/h15-16H,4-14,22H2,1-3H3
InChIKeyOBHQXGIZGCIEGU-UHFFFAOYSA-N
XLogP4.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 92635833
1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 74554180
[4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine
CID 82150142
2-[2-(2-chloroethyl)-5,6-dimethoxybenzimidazol-1-yl]acetamide
CID 83008544
3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82145072
2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid
CID 61364519
1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 82024968
4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid
CID 82150037
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82146076
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476

Frequently Asked Questions

What is the IUPAC name of 10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine?
The IUPAC name of 10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine (CID 92636108) is 10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine.
What is the SMILES notation for 10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine?
The canonical SMILES for 10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine is CCn1c(CCCCCCCCCCN)nc2cc(OC)c(OC)cc21.
What is the InChIKey of 10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine?
The InChIKey is OBHQXGIZGCIEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-4-24-18-16-20(26-3)19(25-2)15-17(18)23-21(24)13-11-9-7-5-6-8-10-12-14-22/h15-16H,4-14,22H2,1-3H3.
What are the key properties of 10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine?
10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine has a molecular weight of 361.53 g/mol, XLogP of 4.70, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine is sourced from PubChem (CID 92636108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).