2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine

C11H19N3 — CID 83858442

IUPAC2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine
SMILESCC(CN)Cc1nc2c([nH]1)CCCC2
InChIInChI=1S/C11H19N3/c1-8(7-12)6-11-13-9-4-2-3-5-10(9)14-11/h8H,2-7,12H2,1H3,(H,13,14)
InChIKeyDBVALMBKSDWWJO-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.43
Rot. Bonds3

About 2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine

2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 83858442) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine
PubChem CID83858442
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine
SMILESCC(CN)Cc1nc2c([nH]1)CCCC2
InChIInChI=1S/C11H19N3/c1-8(7-12)6-11-13-9-4-2-3-5-10(9)14-11/h8H,2-7,12H2,1H3,(H,13,14)
InChIKeyDBVALMBKSDWWJO-UHFFFAOYSA-N
XLogP1.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride
CID 71779243
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine
CID 63927415
N-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
CID 15851824
1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one
CID 83858416
N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)methanamine
CID 63927396
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
CID 113081462
2-(2-methylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 64858005
2-amino-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethanol
CID 84731706
1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine
CID 66201526
N-(4,5,6,7,8,9-hexahydro-1H-cycloocta[d]imidazol-2-ylmethyl)-2-methoxyethanamine
CID 63955902
N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine
CID 102970042
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073665

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine (CID 83858442) is 2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine is CC(CN)Cc1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is DBVALMBKSDWWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(7-12)6-11-13-9-4-2-3-5-10(9)14-11/h8H,2-7,12H2,1H3,(H,13,14).
What are the key properties of 2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine?
2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 83858442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).