2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine

C14H20N4 — CID 115244542

IUPAC2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine
SMILESCNCC1(CNc2ccc3nc(C)[nH]c3c2)CC1
InChIInChI=1S/C14H20N4/c1-10-17-12-4-3-11(7-13(12)18-10)16-9-14(5-6-14)8-15-2/h3-4,7,15-16H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyCZQVDSATHKJBFS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.28
Rot. Bonds5

About 2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine

2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine (PubChem CID 115244542) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine
PubChem CID115244542
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine
SMILESCNCC1(CNc2ccc3nc(C)[nH]c3c2)CC1
InChIInChI=1S/C14H20N4/c1-10-17-12-4-3-11(7-13(12)18-10)16-9-14(5-6-14)8-15-2/h3-4,7,15-16H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyCZQVDSATHKJBFS-UHFFFAOYSA-N
XLogP2.28
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242005
2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine
CID 115229809
3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
CID 115200406
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116943582
2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine
CID 115199843
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
CID 43791195
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 43746332
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
3-[(2-methyl-3H-benzimidazol-5-yl)amino]propanoic acid
CID 82493805
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine (CID 115244542) is 2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine is CNCC1(CNc2ccc3nc(C)[nH]c3c2)CC1.
What is the InChIKey of 2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine?
The InChIKey is CZQVDSATHKJBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-17-12-4-3-11(7-13(12)18-10)16-9-14(5-6-14)8-15-2/h3-4,7,15-16H,5-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine?
2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine has a molecular weight of 244.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 115244542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).