2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine

C14H15N5 — CID 115147966

IUPAC2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C14H15N5/c1-9-4-11(15)7-17-14(9)16-6-10-2-3-12-13(5-10)19-8-18-12/h2-5,7-8H,6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyIRSPMLJCCWSJCK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.46
Rot. Bonds3

About 2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine

2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine (PubChem CID 115147966) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine
PubChem CID115147966
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C14H15N5/c1-9-4-11(15)7-17-14(9)16-6-10-2-3-12-13(5-10)19-8-18-12/h2-5,7-8H,6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyIRSPMLJCCWSJCK-UHFFFAOYSA-N
XLogP2.46
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231455
3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine
CID 115147935
N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 115148660
2-(3H-benzimidazol-5-ylmethylamino)acetonitrile
CID 115131027
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213218
2-(3H-benzimidazol-5-ylmethylamino)ethanethiol
CID 115223998
(3H-benzimidazol-5-ylmethylamino)methanethiol
CID 115227972
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine
CID 142440503
N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 126836079
ethyl 2-(3H-benzimidazol-5-ylmethylamino)acetate
CID 115257391
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860

Frequently Asked Questions

What is the IUPAC name of 2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine (CID 115147966) is 2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1NCc1ccc2nc[nH]c2c1.
What is the InChIKey of 2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine?
The InChIKey is IRSPMLJCCWSJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-4-11(15)7-17-14(9)16-6-10-2-3-12-13(5-10)19-8-18-12/h2-5,7-8H,6,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine?
2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine has a molecular weight of 253.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 115147966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).