1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile

C14H16N4 — CID 115242286

IUPAC1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCc1nc2ccc(CNCC3(C#N)CC3)cc2[nH]1
InChIInChI=1S/C14H16N4/c1-10-17-12-3-2-11(6-13(12)18-10)7-16-9-14(8-15)4-5-14/h2-3,6,16H,4-5,7,9H2,1H3,(H,17,18)
InChIKeyJAPMTIOOUPOLPI-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.26
Rot. Bonds4

About 1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile

1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242286) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242286
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCc1nc2ccc(CNCC3(C#N)CC3)cc2[nH]1
InChIInChI=1S/C14H16N4/c1-10-17-12-3-2-11(6-13(12)18-10)7-16-9-14(8-15)4-5-14/h2-3,6,16H,4-5,7,9H2,1H3,(H,17,18)
InChIKeyJAPMTIOOUPOLPI-UHFFFAOYSA-N
XLogP2.26
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244142
1-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242005
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245288
[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine
CID 116929339
4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butan-2-one
CID 115235708
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182270
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115134746
1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile
CID 115245286
6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile
CID 115142944

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile (CID 115242286) is 1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile is Cc1nc2ccc(CNCC3(C#N)CC3)cc2[nH]1.
What is the InChIKey of 1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is JAPMTIOOUPOLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-17-12-3-2-11(6-13(12)18-10)7-16-9-14(8-15)4-5-14/h2-3,6,16H,4-5,7,9H2,1H3,(H,17,18).
What are the key properties of 1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile?
1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).