5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile

C14H12N4O — CID 115743919

IUPAC5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile
SMILESCc1nc2ccc(NCc3ccc(C#N)o3)cc2[nH]1
InChIInChI=1S/C14H12N4O/c1-9-17-13-5-2-10(6-14(13)18-9)16-8-12-4-3-11(7-15)19-12/h2-6,16H,8H2,1H3,(H,17,18)
InChIKeyNBBVQTYYBPTJLJ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.95
Rot. Bonds3

About 5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile

5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile (PubChem CID 115743919) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile
PubChem CID115743919
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile
SMILESCc1nc2ccc(NCc3ccc(C#N)o3)cc2[nH]1
InChIInChI=1S/C14H12N4O/c1-9-17-13-5-2-10(6-14(13)18-9)16-8-12-4-3-11(7-15)19-12/h2-6,16H,8H2,1H3,(H,17,18)
InChIKeyNBBVQTYYBPTJLJ-UHFFFAOYSA-N
XLogP2.95
TPSA77.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine
CID 43746416
5-[(1,3-benzothiazol-6-ylamino)methyl]furan-2-carbonitrile
CID 103818814
2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
CID 62759070
2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
CID 43746402
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
1-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242005
N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62392283
5-[(4-bromoanilino)methyl]furan-2-carbonitrile
CID 115909240
5-[(3,4-diethoxyanilino)methyl]furan-2-carbonitrile
CID 115671135
5-[(4-chloro-3-fluoroanilino)methyl]furan-2-carbonitrile
CID 113481534
5-[(3-chloro-4-hydroxyanilino)methyl]furan-2-carbonitrile
CID 107678453

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile (CID 115743919) is 5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile is Cc1nc2ccc(NCc3ccc(C#N)o3)cc2[nH]1.
What is the InChIKey of 5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile?
The InChIKey is NBBVQTYYBPTJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-17-13-5-2-10(6-14(13)18-9)16-8-12-4-3-11(7-15)19-12/h2-6,16H,8H2,1H3,(H,17,18).
What are the key properties of 5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile?
5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile has a molecular weight of 252.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115743919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).