(1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine

C9H15N3 — CID 83434428

IUPAC(1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine
SMILESCn1cnc2c1CCCC2CN
InChIInChI=1S/C9H15N3/c1-12-6-11-9-7(5-10)3-2-4-8(9)12/h6-7H,2-5,10H2,1H3
InChIKeyBJWGYCOPSWZNOR-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.80
Rot. Bonds1

About (1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine

(1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine (PubChem CID 83434428) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine
PubChem CID83434428
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine
SMILESCn1cnc2c1CCCC2CN
InChIInChI=1S/C9H15N3/c1-12-6-11-9-7(5-10)3-2-4-8(9)12/h6-7H,2-5,10H2,1H3
InChIKeyBJWGYCOPSWZNOR-UHFFFAOYSA-N
XLogP0.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine
CID 83434532
(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
CID 82593140
2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine
CID 102568425
(2-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine
CID 84718415
2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 82593270
1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine
CID 83875274
4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride
CID 3059950
(3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol
CID 83434426
2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 82593218
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide
CID 166277332
2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine
CID 83434456
(1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
CID 82593416

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine?
The IUPAC name of (1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine (CID 83434428) is (1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine.
What is the SMILES notation for (1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine?
The canonical SMILES for (1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine is Cn1cnc2c1CCCC2CN.
What is the InChIKey of (1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine?
The InChIKey is BJWGYCOPSWZNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-6-11-9-7(5-10)3-2-4-8(9)12/h6-7H,2-5,10H2,1H3.
What are the key properties of (1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine?
(1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine has a molecular weight of 165.24 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine is sourced from PubChem (CID 83434428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).