1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine

C14H14N4 — CID 141086275

IUPAC1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2ccc3nc[nH]c3c2)nc1
InChIInChI=1S/C14H14N4/c1-2-6-16-12(3-1)9-15-8-11-4-5-13-14(7-11)18-10-17-13/h1-7,10,15H,8-9H2,(H,17,18)
InChIKeySYNAURRVYFKYEU-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.25
Rot. Bonds4

About 1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine

1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 141086275) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID141086275
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2ccc3nc[nH]c3c2)nc1
InChIInChI=1S/C14H14N4/c1-2-6-16-12(3-1)9-15-8-11-4-5-13-14(7-11)18-10-17-13/h1-7,10,15H,8-9H2,(H,17,18)
InChIKeySYNAURRVYFKYEU-UHFFFAOYSA-N
XLogP2.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213218
(3H-benzimidazol-5-ylmethylamino)methanethiol
CID 115227972
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
1-(2-methylquinolin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 105378208
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 4719779
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
CID 158212763
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine (CID 141086275) is 1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CNCc2ccc3nc[nH]c3c2)nc1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is SYNAURRVYFKYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-6-16-12(3-1)9-15-8-11-4-5-13-14(7-11)18-10-17-13/h1-7,10,15H,8-9H2,(H,17,18).
What are the key properties of 1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine?
1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 238.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 141086275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).