4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine

C18H29N3 — CID 81011531

IUPAC4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCCn1c(CC(C)C(C)CNC(C)C)nc2ccccc21
InChIInChI=1S/C18H29N3/c1-6-21-17-10-8-7-9-16(17)20-18(21)11-14(4)15(5)12-19-13(2)3/h7-10,13-15,19H,6,11-12H2,1-5H3
InChIKeyMXBXBEQRZLGJHV-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.87
Rot. Bonds7

About 4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine

4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 81011531) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID81011531
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCCn1c(CC(C)C(C)CNC(C)C)nc2ccccc21
InChIInChI=1S/C18H29N3/c1-6-21-17-10-8-7-9-16(17)20-18(21)11-14(4)15(5)12-19-13(2)3/h7-10,13-15,19H,6,11-12H2,1-5H3
InChIKeyMXBXBEQRZLGJHV-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79750506
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine
CID 105007782
N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
CID 103516859
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
CID 63842235
N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 81015250
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine
CID 79751150
3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
CID 103516858
[1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272000
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 79756296

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 81011531) is 4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine is CCn1c(CC(C)C(C)CNC(C)C)nc2ccccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is MXBXBEQRZLGJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-6-21-17-10-8-7-9-16(17)20-18(21)11-14(4)15(5)12-19-13(2)3/h7-10,13-15,19H,6,11-12H2,1-5H3.
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81011531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).