[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine

C16H18N4 — CID 115213218

IUPAC[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
SMILESNCc1ccc(CNCc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C16H18N4/c17-8-12-1-3-13(4-2-12)9-18-10-14-5-6-15-16(7-14)20-11-19-15/h1-7,11,18H,8-10,17H2,(H,19,20)
InChIKeyYGMQFXAHNKXXGU-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.31
Rot. Bonds5

About [4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine

[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine (PubChem CID 115213218) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is [4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
PubChem CID115213218
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
SMILESNCc1ccc(CNCc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C16H18N4/c17-8-12-1-3-13(4-2-12)9-18-10-14-5-6-15-16(7-14)20-11-19-15/h1-7,11,18H,8-10,17H2,(H,19,20)
InChIKeyYGMQFXAHNKXXGU-UHFFFAOYSA-N
XLogP2.31
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3H-benzimidazol-5-ylmethylamino)methanethiol
CID 115227972
1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 141086275
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
2-(3H-benzimidazol-5-ylmethylamino)ethanethiol
CID 115223998
2-(3H-benzimidazol-5-ylmethylamino)acetonitrile
CID 115131027
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
ethyl 2-(3H-benzimidazol-5-ylmethylamino)acetate
CID 115257391
1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246193
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481

Frequently Asked Questions

What is the IUPAC name of [4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine?
The IUPAC name of [4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine (CID 115213218) is [4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine is NCc1ccc(CNCc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of [4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine?
The InChIKey is YGMQFXAHNKXXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c17-8-12-1-3-13(4-2-12)9-18-10-14-5-6-15-16(7-14)20-11-19-15/h1-7,11,18H,8-10,17H2,(H,19,20).
What are the key properties of [4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine?
[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine is sourced from PubChem (CID 115213218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).