(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid

C10H11N3O2 — CID 115170893

IUPAC(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
SMILESCc1nc2ccc(CNC(=O)O)cc2[nH]1
InChIInChI=1S/C10H11N3O2/c1-6-12-8-3-2-7(4-9(8)13-6)5-11-10(14)15/h2-4,11H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyKAFFJMNXHGPCKD-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.64
Rot. Bonds2

About (2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid

(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid (PubChem CID 115170893) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid.

Molecular Properties

Compound Name(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
PubChem CID115170893
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
SMILESCc1nc2ccc(CNC(=O)O)cc2[nH]1
InChIInChI=1S/C10H11N3O2/c1-6-12-8-3-2-7(4-9(8)13-6)5-11-10(14)15/h2-4,11H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyKAFFJMNXHGPCKD-UHFFFAOYSA-N
XLogP1.64
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182270
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
CID 99995565
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butan-2-one
CID 115235708
1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
CID 110775448
1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 163312396
2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 116838286
(2S)-2-amino-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 96583220
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid?
The IUPAC name of (2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid (CID 115170893) is (2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid.
What is the SMILES notation for (2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid?
The canonical SMILES for (2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid is Cc1nc2ccc(CNC(=O)O)cc2[nH]1.
What is the InChIKey of (2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid?
The InChIKey is KAFFJMNXHGPCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6-12-8-3-2-7(4-9(8)13-6)5-11-10(14)15/h2-4,11H,5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of (2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid?
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid has a molecular weight of 205.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid is sourced from PubChem (CID 115170893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).