N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide

C11H19N5O — CID 59766091

IUPACN-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1Cc2[nH]c(N)nc2CC1CN
InChIInChI=1S/C11H19N5O/c1-6(17)14-5-8-3-10-9(2-7(8)4-12)15-11(13)16-10/h7-8H,2-5,12H2,1H3,(H,14,17)(H3,13,15,16)
InChIKeyTUFDUOCQYAXRMY-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.58
Rot. Bonds3

About N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide

N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide (PubChem CID 59766091) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide
PubChem CID59766091
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1Cc2[nH]c(N)nc2CC1CN
InChIInChI=1S/C11H19N5O/c1-6(17)14-5-8-3-10-9(2-7(8)4-12)15-11(13)16-10/h7-8H,2-5,12H2,1H3,(H,14,17)(H3,13,15,16)
InChIKeyTUFDUOCQYAXRMY-UHFFFAOYSA-N
XLogP-0.58
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide (CID 59766091) is N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide is CC(=O)NCC1Cc2[nH]c(N)nc2CC1CN.
What is the InChIKey of N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide?
The InChIKey is TUFDUOCQYAXRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-6(17)14-5-8-3-10-9(2-7(8)4-12)15-11(13)16-10/h7-8H,2-5,12H2,1H3,(H,14,17)(H3,13,15,16).
What are the key properties of N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide?
N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide has a molecular weight of 237.31 g/mol, XLogP of -0.58, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-6-(aminomethyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 59766091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).