(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine

C14H21N5 — CID 116941411

IUPAC(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine
SMILESCc1nc2ccc(C(N)C3CN(C)CCN3)cc2[nH]1
InChIInChI=1S/C14H21N5/c1-9-17-11-4-3-10(7-12(11)18-9)14(15)13-8-19(2)6-5-16-13/h3-4,7,13-14,16H,5-6,8,15H2,1-2H3,(H,17,18)
InChIKeyNKMDEHBCARSLEF-UHFFFAOYSA-N
MW259.36 g/mol
LogP0.77
Rot. Bonds2

About (2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine

(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine (PubChem CID 116941411) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is (2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine
PubChem CID116941411
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine
SMILESCc1nc2ccc(C(N)C3CN(C)CCN3)cc2[nH]1
InChIInChI=1S/C14H21N5/c1-9-17-11-4-3-10(7-12(11)18-9)14(15)13-8-19(2)6-5-16-13/h3-4,7,13-14,16H,5-6,8,15H2,1-2H3,(H,17,18)
InChIKeyNKMDEHBCARSLEF-UHFFFAOYSA-N
XLogP0.77
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine
CID 116941438
(4-methylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941344
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
2-methyl-6-(1-piperazin-1-ylethyl)-1H-benzimidazole
CID 82497698
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
3-amino-3-(2-methyl-3H-benzimidazol-5-yl)propane-1-thiol
CID 116831290
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203
4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
CID 116936897
1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile
CID 116942996
(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941397
[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116943582

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine?
The IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine (CID 116941411) is (2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine is Cc1nc2ccc(C(N)C3CN(C)CCN3)cc2[nH]1.
What is the InChIKey of (2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine?
The InChIKey is NKMDEHBCARSLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9-17-11-4-3-10(7-12(11)18-9)14(15)13-8-19(2)6-5-16-13/h3-4,7,13-14,16H,5-6,8,15H2,1-2H3,(H,17,18).
What are the key properties of (2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine?
(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine has a molecular weight of 259.36 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116941411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).